1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C21H15N5OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C21H15N5OCl2 |
| Smiles | O=C(c1nn(Cc(ccc(Cl)c2)c2Cl)cc1)N/N=C\c1cccc2cccnc12 |
| InChI | InChI=1S/C21H15Cl2N5O/c22-17-7-6-16(18(23)11-17)13-28-10-8-19(27-28)21(29)26-25-12-15-4-1-3-14-5-2-9-24-20(14)15/h1-12H,13H2,(H,26,29) |
| InChIK | NEOFRJXFHYSJLE-UHFFFAOYSA-N |
| TotalMolweight | 424.29 |
| Molweight | 424.29 |
| MonoisotopicMass | 423.065364 |
| CLogP | 4.2034 |
| CLogS | -5.48 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 312.67 |
| Relative PSA | 0.20731 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 7.2144 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide | 2 - 1-[(2,4-dichlorophenyl)methyl]-N-[(Z)-quinolin-8-ylmethylideneamino]pyrazole-3-carboxamide
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